[4-[[bis(1H-imidazol-2-ylmethyl)amino]methyl]phenyl]-(4-cyclohexylpiperazin-1-yl)methanone

Systemtic Name: [4-[[bis(1H-imidazol-2-ylmethyl)amino]methyl]phenyl]-(4-cyclohexylpiperazin-1-yl)methanone Openeye Name: [4-[[bis(1H-imidazol-2-ylmethyl)amino]methyl]phenyl]-(4-cyclohexylpiperazin-1-yl)methanone CAS Name: [4-[[bis(1H-imidazol-2-ylmethyl)amino]methyl]phenyl]-(4-cyclohexyl-1-piperazinyl)methanone IUPAC Name: [4-[[bis(1H-imidazol-2-ylmethyl)amino]methyl]phenyl]-(4-cyclohexylpiperazin-1-yl)methanone Traditional Name: [4-[[bis(1H-imidazol-2-ylmethyl)amino]methyl]phenyl]-(4-cyclohexylpiperazino)methanone Formula: C26H35N7O MolecularWeight: 461.6024

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2CCN(CC2)C(=O)C3=CC=C(C=C3)CN(CC4=NC=CN4)CC5=NC=CN5

Isomeric SMILES

C1CCC(CC1)N2CCN(CC2)C(=O)C3=CC=C(C=C3)CN(CC4=NC=CN4)CC5=NC=CN5

InChI

InChI=1S/C26H35N7O/c34-26(33-16-14-32(15-17-33)23-4-2-1-3-5-23)22-8-6-21(7-9-22)18-31(19-24-27-10-11-28-24)20-25-29-12-13-30-25/h6-13,23H,1-5,14-20H2,(H,27,28)(H,29,30)